Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
4QGA Chain:B ((4-205))
----FITFEGPEGSGKTTVINEVYHRLV-KDYDVIMTREPGGVPTGEEIRKIVLEGND--MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNS-----DQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI--
General information:
TITO was launched using:
RESULT:
Template:
4QGA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76302 for 1558 contacts (-49.0/contact) +
2D Compatibility (PS) -22969 + (NN) -20862 + (LL) 512
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -136971.0 ( -87.91 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_4QGA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGA-query.scw
PDB file :
Tito_Scwrl_4QGA.pdb
: